General Information of the Compound
| Compound ID |
CP0386393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-methylpiperazine-1-carbonyl)-2-propan-2-ylphenyl]-4-oxo-3H-thieno[3,2-d]pyrimidine-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O3S
|
||||||||||||||||||
| Molecular Weight |
439.541
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(ccc1NC(=O)c1csc2c1nc[nH]c2=O)C(=O)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O3S/c1-13(2)15-10-14(22(30)27-8-6-26(3)7-9-27)4-5-17(15)25-20(28)16-11-31-19-18(16)23-12-24-21(19)29/h4-5,10-13H,6-9H2,1-3H3,(H,25,28)(H,23,24,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKKONWDOPQEBNH-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound